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Publications in Theoretical Chemistry

A Universal Density Matrix Functional From Molecular Orbital-Based Machine Learning: Transferability Across Organic Molecules

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Linear Assembly of Patchy and Non-Patchy Nanoparticles

Faraday Discussions

Theoretical Chemistry

Physical

2016

English

Erratum: “Accurate Ab Initio Potential Energy Surfaces for the 3A″ and 3A′ Electronic States of the O(3P)+HBr System” [J. Chem. Phys. 136, 174316 (2012)]

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Comment on “Dynamic Coupling of a Small Rigid Probe to Viscous Ortho-Terphenyl” [J. Chem. Phys. 133, 214501 (2010)]

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

A New Semi-Automated Computer-Based System for Assessing the Purge of Mutagenic Impurities

Organic Process Research and Development

Organic Chemistry

Theoretical Chemistry

Physical

2019

English

Deeply Supercooled Aqueous LiCl Solution Studied by Frequency-Resolved Shear Rheology

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Ab Initio Predictions and Laboratory Validation for Consistent Ozone Intensities in the MW, 10 and 5 Μm Ranges

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Publisher’s Note: “System-Size Effects in Ionic Fluids Under Periodic Boundary Conditions” [J. Chem. Phys. 145, 214103 (2016)]

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Identification of Slow Relaxation Modes in a Protein Trimer via Positive Definite Relaxation Mode Analysis

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Nuclear Spin Selective Laser Control of Rotational and Torsional Dynamics

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Amanote Research

Discover open access scientific publications

Search, annotate, share and cite publications

Publications in Theoretical Chemistry

A Universal Density Matrix Functional From Molecular Orbital-Based Machine Learning: Transferability Across Organic Molecules

Linear Assembly of Patchy and Non-Patchy Nanoparticles

Erratum: “Accurate Ab Initio Potential Energy Surfaces for the 3A″ and 3A′ Electronic States of the O(3P)+HBr System” [J. Chem. Phys. 136, 174316 (2012)]

Comment on “Dynamic Coupling of a Small Rigid Probe to Viscous Ortho-Terphenyl” [J. Chem. Phys. 133, 214501 (2010)]

A New Semi-Automated Computer-Based System for Assessing the Purge of Mutagenic Impurities

Deeply Supercooled Aqueous LiCl Solution Studied by Frequency-Resolved Shear Rheology

Ab Initio Predictions and Laboratory Validation for Consistent Ozone Intensities in the MW, 10 and 5 Μm Ranges

Publisher’s Note: “System-Size Effects in Ionic Fluids Under Periodic Boundary Conditions” [J. Chem. Phys. 145, 214103 (2016)]

Identification of Slow Relaxation Modes in a Protein Trimer via Positive Definite Relaxation Mode Analysis

Nuclear Spin Selective Laser Control of Rotational and Torsional Dynamics